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NCID-ZINC01685271

 MMsINC code: MMs02318479
Type: Neutral
Formula: C5H6N2O4S
SMILES:   S(=O)(=O)(C)C1=CNC(=O)NC1=O
InChI:   InChI=1/C5H6N2O4S/c1-12(10,11)3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

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Potential Energy
Epot(MMFF94)=-13.7294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.179 g/mol  logS: -0.58977  SlogP: -1.2882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11253  Sterimol/B1: 2.42264  Sterimol/B2: 3.48762  Sterimol/B3: 4.05983
  Sterimol/B4: 4.39818  Sterimol/L: 10.6976 
 
 Surface and Volume Properties
  Accessible surface: 326.524  Positive charged surface: 155.168  Negative charged surface: 171.356  Volume: 138.5
  Hydrophobic surface: 111.576  Hydrophilic surface: 214.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.